N-(3,5-dimethoxyphenyl)-4-nitro-benzenecarbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-nitro-benzenecarbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-nitro-benzenecarbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-nitrobenzenecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-nitrobenzenecarbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-nitro-thiobenzamide Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C15H14N2O4S/c1-20-13-7-11(8-14(9-13)21-2)16-15(22)10-3-5-12(6-4-10)17(18)19/h3-9H,1-2H3,(H,16,22)